Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T26851 | Target Info | |||
| Target Name | Complement C3 (CO3) | ||||
| Synonyms | C3 and PZP-like alpha-2-macroglobulin domain-containing protein 1; C3 | ||||
| Target Type | Successful Target | ||||
| Gene Name | C3 | ||||
| Biochemical Class | Complement system | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 1-methyl-L-tryptophan | Ligand Info | |||||
| Structure Description | C3b in complex with CP40 | PDB:7BAG | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
SPMYSIITPN
10 ILRLESEETM20 VLEAHDAQGD30 VPVTVTVHDF40 PGKKLVLSSE50 KTVLTPATNH 60 MGNVTFTIPA70 NREFKKGRNK82 FVTVQATFGT92 QVVEKVVLVS102 LQSGYLFIQT 112 DKTIYTPGST122 VLYRIFTVNH132 KLLPVGRTVM142 VNIENPEGIP152 VKQDSLSSQN 162 QLGVLPLSWD172 IPELVNMGQW182 KIRAYYENSP192 QQVFSTEFEV202 KEYVLPSFEV 212 IVEPTEKFYY222 IYNEKGLEVT232 ITARFLYGKK242 VEGTAFVIFG252 IQDGEQRISL 262 PESLKRIPIE272 DGSGEVVLSR282 KVLLDGVQNP292 RAEDLVGKSL302 YVSATVILHS 312 GSDMVQAERS322 GIPIVTSPYQ332 IHFTKTPKYF342 KPGMPFDLMV352 FVTNPDGSPA 362 YRVPVAVQGE372 DTVQSLTQGD382 GVAKLSINTH392 PSQKPLSITV402 RTKKQELSEA 412 EQATRTMQAL422 PYSTVGNSNN432 YLHLSVLRTE442 LRPGETLNVN452 FLLRMDRAHE 462 AKIRYYTYLI472 MNKGRLLKAG482 RQVREPGQDL492 VVLPLSITTD502 FIPSFRLVAY 512 YTLIGASGQR522 EVVADSVWVD532 VKDSCVGSLV542 VKSGQSEDRQ552 PVPGQQMTLK 562 IEGDHGARVV572 LVAVDKGVFV582 LNKKNKLTQS592 KIWDVVEKAD602 IGCTPGSGKD 612 YAGVFSDAGL622 TFTSSSGQQT632 AQRAELQCPQ642
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| Ligand Name: Acetamide | Ligand Info | |||||
| Structure Description | C3b in complex with CP40 | PDB:7BAG | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
SNLDEDIIAE
736 ENIVSRSEFP746 ESWLWNVEDL756 KEPPKNGIST766 KLMNIFLKDS776 ITTWEILAVS 786 MSDKKGICVA796 DPFEVTVMQD806 FFIDLRLPYS816 VVRNEQVEIR826 AVLYNYRQNQ 836 ELKVRVELLH846 NPAFCSLATT856 KRRHQQTVTI866 PPKSSLSVPY876 VIVPLKTGLQ 886 EVEVKAAVYH896 HFISDGVRKS906 LKVVPEGIRM916 NKTVAVRTLD926 PERLGREGVQ 936 KEDIPPADLS946 DQVPDTESET956 RILLQGTPVA966 QMTEDAVDAE976 RLKHLIVTPS 986 GCGEQNMIGM996 TPTVIAVHYL1006 DETEQWEKFG1016 LEKRQGALEL1026 IKKGYTQQLA 1036 FRQPSSAFAA1046 FVKRAPSTWL1056 TAYVVKVFSL1066 AVNLIAIDSQ1076 VLCGAVKWLI 1086 LEKQKPDGVF1096 QEDAPVIHQE1106 MIGGLRNNNE1116 KDMALTAFVL1126 ISLQEAKDIC 1136 EEQVNSLPGS1146 ITKAGDFLEA1156 NYMNLQRSYT1166 VAIAGYALAQ1176 MGRLKGPLLN 1186 KFLTTAKDKN1196 RWEDPGKQLY1206 NVEATSYALL1216 ALLQLKDFDF1226 VPPVVRWLNE 1236 QRYYGGGYGS1246 TQATFMVFQA1256 LAQYQKDAPD1266 HQELNLDVSL1276 QLPSRSSKIT 1286 HRIHWESASL1296 LRSEETKENE1306 GFTVTAEGKG1316 QGTLSVVTMY1326 HAKAKDQLTC 1336 NKFDLKVTIK1346 PAPETEKRPQ1356 DAKNTMILEI1366 CTRYRGDQDA1376 TMSILDISMM 1386 TGFAPDTDDL1396 KQLANGVDRY1406 ISKYELDKAF1416 SDRNTLIIYL1426 DKVSHSEDDC 1436 LAFKVHQYFN1446 VELIQPGAVK1456 VYAYYNLEES1466 CTRFYHPEKE1476 DGKLNKLCRD 1486 ELCRCAEENC1496 FIQKSDDKVT1506 LEERLDKACE1516 PGVDYVYKTR1526 LVKVQLSNDF 1536 DEYIMAIEQT1546 IKSGSDEVQV1556 GQQRTFISPI1566 KCREALKLEE1576 KKHYLMWGLS 1586 SDFWGEKPNL1596 SYIIGKDTWV1606 EHWPEEDECQ1616 DEENQKQCQD1626 LGAFTESMVV 1636 FGCPN
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| Ligand Name: Sarcosine | Ligand Info | |||||
| Structure Description | C3b in complex with CP40 | PDB:7BAG | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
SPMYSIITPN
10 ILRLESEETM20 VLEAHDAQGD30 VPVTVTVHDF40 PGKKLVLSSE50 KTVLTPATNH 60 MGNVTFTIPA70 NREFKKGRNK82 FVTVQATFGT92 QVVEKVVLVS102 LQSGYLFIQT 112 DKTIYTPGST122 VLYRIFTVNH132 KLLPVGRTVM142 VNIENPEGIP152 VKQDSLSSQN 162 QLGVLPLSWD172 IPELVNMGQW182 KIRAYYENSP192 QQVFSTEFEV202 KEYVLPSFEV 212 IVEPTEKFYY222 IYNEKGLEVT232 ITARFLYGKK242 VEGTAFVIFG252 IQDGEQRISL 262 PESLKRIPIE272 DGSGEVVLSR282 KVLLDGVQNP292 RAEDLVGKSL302 YVSATVILHS 312 GSDMVQAERS322 GIPIVTSPYQ332 IHFTKTPKYF342 KPGMPFDLMV352 FVTNPDGSPA 362 YRVPVAVQGE372 DTVQSLTQGD382 GVAKLSINTH392 PSQKPLSITV402 RTKKQELSEA 412 EQATRTMQAL422 PYSTVGNSNN432 YLHLSVLRTE442 LRPGETLNVN452 FLLRMDRAHE 462 AKIRYYTYLI472 MNKGRLLKAG482 RQVREPGQDL492 VVLPLSITTD502 FIPSFRLVAY 512 YTLIGASGQR522 EVVADSVWVD532 VKDSCVGSLV542 VKSGQSEDRQ552 PVPGQQMTLK 562 IEGDHGARVV572 LVAVDKGVFV582 LNKKNKLTQS592 KIWDVVEKAD602 IGCTPGSGKD 612 YAGVFSDAGL622 TFTSSSGQQT632 AQRAELQCPQ642
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SAR or .SAR2 or .SAR3 or :3SAR;style chemicals stick;color identity;select .A:489 or .A:491; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: D-tyrosine | Ligand Info | |||||
| Structure Description | C3b in complex with CP40 | PDB:7BAG | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
SPMYSIITPN
10 ILRLESEETM20 VLEAHDAQGD30 VPVTVTVHDF40 PGKKLVLSSE50 KTVLTPATNH 60 MGNVTFTIPA70 NREFKKGRNK82 FVTVQATFGT92 QVVEKVVLVS102 LQSGYLFIQT 112 DKTIYTPGST122 VLYRIFTVNH132 KLLPVGRTVM142 VNIENPEGIP152 VKQDSLSSQN 162 QLGVLPLSWD172 IPELVNMGQW182 KIRAYYENSP192 QQVFSTEFEV202 KEYVLPSFEV 212 IVEPTEKFYY222 IYNEKGLEVT232 ITARFLYGKK242 VEGTAFVIFG252 IQDGEQRISL 262 PESLKRIPIE272 DGSGEVVLSR282 KVLLDGVQNP292 RAEDLVGKSL302 YVSATVILHS 312 GSDMVQAERS322 GIPIVTSPYQ332 IHFTKTPKYF342 KPGMPFDLMV352 FVTNPDGSPA 362 YRVPVAVQGE372 DTVQSLTQGD382 GVAKLSINTH392 PSQKPLSITV402 RTKKQELSEA 412 EQATRTMQAL422 PYSTVGNSNN432 YLHLSVLRTE442 LRPGETLNVN452 FLLRMDRAHE 462 AKIRYYTYLI472 MNKGRLLKAG482 RQVREPGQDL492 VVLPLSITTD502 FIPSFRLVAY 512 YTLIGASGQR522 EVVADSVWVD532 VKDSCVGSLV542 VKSGQSEDRQ552 PVPGQQMTLK 562 IEGDHGARVV572 LVAVDKGVFV582 LNKKNKLTQS592 KIWDVVEKAD602 IGCTPGSGKD 612 YAGVFSDAGL622 TFTSSSGQQT632 AQRAELQCPQ642
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DTY or .DTY2 or .DTY3 or :3DTY;style chemicals stick;color identity;select .A:373 or .A:375 or .A:388 or .A:389 or .A:390; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Insight into mode-of-action and structural determinants of the compstatin family of clinical complement inhibitors. Nat Commun. 2022 Sep 20;13(1):5519. | ||||
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